CAS RN: 47493-14-1
Hydroxychloroquine Impurity 7
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS47493-14-1
- Purity/Analytical Methods: >99.0%
47493-14-1 / 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl acetate
Basic Information
CAS
47493-14-1
Multi CAS
No
Molecular Formula
C20H28CLN3O2
Molecular Weight
377.900000
Exact Mass
377.187005
InChI
InChI=1S/C20H28ClN3O2/c1-4-24(12-13-26-16(3)25)11-5-6-15(2)23-19-9-10-22-20-14-17(21)7-8-18(19)20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,22,23)
InChIKey
YEVQTWFAUWKTAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
107.82
TPSA
54.46
LogP / Solubility
WLOGP
4.35
MLOGP
3.85
XLogP3
4.2
Consensus LogP
4.13
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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